Alex P. Gaiduk

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Giulia GalliLiew Family Professor of Molecular Engineering, Professor of Chemistry,University of ChicagoPatvirtintas el. paštas uchicago.edu
Viktor N. StaroverovProfessor, Department of Chemistry, The University of Western OntarioPatvirtintas el. paštas uwo.ca
Francois GygiProfessor of Computer Science, University of California DavisPatvirtintas el. paštas ucdavis.edu
Marco GovoniAssociate Professor, University of Modena and Reggio EmiliaPatvirtintas el. paštas unimore.it
Ilya G. RyabinkinOTI Lumionics IncPatvirtintas el. paštas otilumionics.com
Tuan Anh PhamLawrence Livermore National LabPatvirtintas el. paštas llnl.gov
Jonathan H SkoneLawerence Berkeley National LabPatvirtintas el. paštas lbl.gov
Francesco PaesaniUniversity of California, San DiegoPatvirtintas el. paštas ucsd.edu
Arne Nylandsted LarsenProfessor Emeritus in Physics, Aarhus UniversityPatvirtintas el. paštas phys.au.dk
Kendra Letchworth-WeaverAssistant Professor, James Madison UniversityPatvirtintas el. paštas jmu.edu
Cui ZhangChemistry Department, Princeton UniversityPatvirtintas el. paštas ucdavis.edu
Robert SeidelHelmholtz-Zentrum BerlinPatvirtintas el. paštas helmholtz-berlin.de
Bernd WinterFritz-Haber-Institut der Max-Planck-GesellschaftPatvirtintas el. paštas fhi-berlin.mpg.de
Dzmitry FirahaScientific Software Developer, Avant-garde Materials SimulationPatvirtintas el. paštas avmatsim.eu
Slava KohutAIGPatvirtintas el. paštas kohut.co
Alexei KananenkaAssistant Professor, University of DelawarePatvirtintas el. paštas udel.edu
Federico GibertiPictet Asset ManagementPatvirtintas el. paštas epfl.ch
Maria K Y ChanScientist, Center for Nanoscale Materials, Argonne National LaboratoryPatvirtintas el. paštas anl.gov
Paul FenterArgonne Distinguished Fellow, Senior Scientist & Group Leader, Argonne National LaboratoryPatvirtintas el. paštas anl.gov
Гайдук, Петр Иванович; PI Gaiduk, П...Belarusian State University, Department of RF&CT, 4 Nezavisimosti av., 220030 Minsk, Belarus;Patvirtintas el. paštas bsu.by

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Alex P. Gaiduk

Snowflake, Inc.

Patvirtintas el. paštas snowflake.com

Electronic-structure theory density functional theory molecular dynamics


Pavadinimas Rūšiuoti pagal šaltinius Rūšiuoti pagal metus Rūšiuoti pagal pavadinimą	Cituota Cituota	Metai
Electron affinity of liquid water AP Gaiduk, TA Pham, M Govoni, F Paesani, G Galli Nature communications 9 (1), 247, 2018	159	2018
Local and Global Effects of Dissolved Sodium Chloride on the Structure of Water AP Gaiduk, G Galli The Journal of Physical Chemistry Letters 8 (7), 1496-1502, 2017	127	2017
Density and compressibility of liquid water and ice from first-principles simulations with hybrid functionals AP Gaiduk, F Gygi, G Galli The Journal of Physical Chemistry Letters 6, 2902, 2015	109	2015
Chemical bath deposition of PbS nanocrystals: Effect of substrate AP Gaiduk, PI Gaiduk, AN Larsen Thin Solid Films 516 (12), 3791, 2008	104	2008
Structural and electronic properties of aqueous NaCl solutions from ab initio molecular dynamics simulations with hybrid density functionals AP Gaiduk, C Zhang, F Gygi, G Galli Chemical Physics Letters, 2014	92	2014
How to tell when a model Kohn–Sham potential is not a functional derivative AP Gaiduk, VN Staroverov The Journal of Chemical Physics 131 (4), 044107, 2009	91	2009
Photoelectron spectra of aqueous solutions from first principles AP Gaiduk, M Govoni, R Seidel, JH Skone, B Winter, G Galli Journal of the American Chemical Society 138 (22), 6912-6915, 2016	80	2016
First-Principles Simulations of Liquid Water Using a Dielectric-Dependent Hybrid Functional AP Gaiduk, JA Gustafson, F Gygi, G Galli The journal of Physical Chemistry Letters, 2018	51	2018
Reconstruction of Density Functionals from Kohn− Sham Potentials by Integration along Density Scaling Paths AP Gaiduk, SK Chulkov, VN Staroverov Journal of Chemical Theory and Computation 5 (4), 699-707, 2009	50	2009
Improved Electronic Excitation Energies from Shape-Corrected<? format?> Semilocal Kohn-Sham Potentials AP Gaiduk, DS Firaha, VN Staroverov Physical Review Letters 108 (25), 253005, 2012	45	2012
Removal of basis-set artifacts in Kohn–Sham potentials recovered from electron densities AP Gaiduk, IG Ryabinkin, VN Staroverov Journal of chemical theory and computation 9 (9), 3959-3964, 2013	43	2013
Virial exchange energies from model exact-exchange potentials AP Gaiduk, VN Staroverov The Journal of Chemical Physics 128 (20), 204101, 2008	42	2008
Efficient construction of exchange and correlation potentials by inverting the Kohn–Sham equations AA Kananenka, SV Kohut, AP Gaiduk, IG Ryabinkin, VN Staroverov The Journal of Chemical Physics 139 (7), 2013	40	2013
Self-interaction correction scheme for approximate Kohn-Sham potentials AP Gaiduk, D Mizzi, VN Staroverov Physical Review A—Atomic, Molecular, and Optical Physics 86 (5), 052518, 2012	24	2012
Construction of integrable model Kohn-Sham potentials by analysis of the structure of functional derivatives AP Gaiduk, VN Staroverov Physical Review A—Atomic, Molecular, and Optical Physics 83 (1), 012509, 2011	20	2011
A generalized gradient approximation for exchange derived from the model potential of van Leeuwen and Baerends AP Gaiduk, VN Staroverov The Journal of chemical physics 136, 064116, 2012	19	2012
Communication: Explicit construction of functional derivatives in potential-driven density-functional theory AP Gaiduk, VN Staroverov The Journal of chemical physics 133, 101104, 2010	19	2010
Validating first-principles molecular dynamics calculations of oxide/water interfaces with x-ray reflectivity data KJ Harmon, K Letchworth-Weaver, AP Gaiduk, F Giberti, F Gygi, ... Physical Review Materials 4 (11), 113805, 2020	14	2020
Modified Slater exchange potential with correct uniform electron gas limit AP Gaiduk, IG Ryabinkin, VN Staroverov Canadian Journal of Chemistry 93 (1), 91, 2015	5	2015
THEORY OF MODEL KOHN–SHAM POTENTIALS AND ITS APPLICATIONS (Thesis format: Integrated Article) AP Gaiduk The University of Western Ontario, 2013	4*	2013

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